1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine

C15H21N3O — CID 102803133

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cn(C)nc1C
InChIInChI=1S/C15H21N3O/c1-10-5-6-15(19-4)12(7-10)8-14(16)13-9-18(3)17-11(13)2/h5-7,9,14H,8,16H2,1-4H3
InChIKeyVRAHTEKEQDKGSC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 102803133) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID102803133
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CC(N)c1cn(C)nc1C
InChIInChI=1S/C15H21N3O/c1-10-5-6-15(19-4)12(7-10)8-14(16)13-9-18(3)17-11(13)2/h5-7,9,14H,8,16H2,1-4H3
InChIKeyVRAHTEKEQDKGSC-UHFFFAOYSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118214
1-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107503260
2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105118289
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
1-(4,5-dimethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826649
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 102812078
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine (CID 102803133) is 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1CC(N)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is VRAHTEKEQDKGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-5-6-15(19-4)12(7-10)8-14(16)13-9-18(3)17-11(13)2/h5-7,9,14H,8,16H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 102803133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).